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1. Bayesian_Optimization_Material_design Bayesian_Optimization_Material_design Public

   Accelerated Design of Layered Materials with Bayesian Optimization

   Python 18 7

2. ML_MD ML_MD Public

   Equivariant Neural Network Molecular Dynamics

   Yacc 1

3. VAE_Phase_Transformation VAE_Phase_Transformation Public

   A Deep Generative Model of Phase Transformation in Layered Material

   C 7 3

4. rxmd rxmd Public

   Forked from USCCACS/RXMD

   ReaxFF MD code repository

   Fortran 1 1

5. RL_CVD RL_CVD Public

   Reinforcement Learning Agent for Autonomous Synthesis of pure phase MoS2 with minimum defect conc. by CVD

   Jupyter Notebook 7 4

6. RL_kirigami RL_kirigami Public

   Deep Reinforcement Learning Assisted Kirigami Design of 2D Material

   Python 8 3